3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C27H25N3OS — CID 23734721

IUPAC3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2OC)n1N=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N3OS/c1-3-18-28-27-30(25(20-32-27)23-16-10-11-17-26(23)31-2)29-19-24(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h3-17,19-20,24H,1,18H2,2H3/b28-27-,29-19?
InChIKeyFUBUXMHHQJVPSJ-AIBGTVEISA-N
MW439.58 g/mol
LogP5.98
Rot. Bonds8

About 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23734721) has the molecular formula C27H25N3OS and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23734721
Molecular FormulaC27H25N3OS
Molecular Weight439.58 g/mol
Exact Mass439.17
IUPAC Name3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2OC)n1N=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25N3OS/c1-3-18-28-27-30(25(20-32-27)23-16-10-11-17-26(23)31-2)29-19-24(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h3-17,19-20,24H,1,18H2,2H3/b28-27-,29-19?
InChIKeyFUBUXMHHQJVPSJ-AIBGTVEISA-N
XLogP5.98
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23824278
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23932545
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
2,6-dimethoxy-4-[(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135839028
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-[(2R)-2-phenylpropylidene]amino]-1,3-thiazol-2-imine
CID 8003103
3-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-N-ethyl-4-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23968521
4-(2,4-dichlorophenyl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852726
4-(2,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23767611
4-[[4-(2,5-dimethoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135813503
4-(2-methoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23739770
4-(1-benzofuran-2-yl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23906383
4-naphthalen-1-yl-N-prop-2-enyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23823524

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23734721) is 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2OC)n1N=CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is FUBUXMHHQJVPSJ-AIBGTVEISA-N. The full InChI is InChI=1S/C27H25N3OS/c1-3-18-28-27-30(25(20-32-27)23-16-10-11-17-26(23)31-2)29-19-24(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h3-17,19-20,24H,1,18H2,2H3/b28-27-,29-19?.
What are the key properties of 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 439.58 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23734721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).